N-(4-tert-butylphenyl)-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-6-(1,4-diazepan-1-yl)-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-6-(1,4-diazepan-1-yl)nicotinamide Formula: C21H28N4O MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3CCCNCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CN=C(C=C2)N3CCCNCC3

InChI

InChI=1S/C21H28N4O/c1-21(2,3)17-6-8-18(9-7-17)24-20(26)16-5-10-19(23-15-16)25-13-4-11-22-12-14-25/h5-10,15,22H,4,11-14H2,1-3H3,(H,24,26)